Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039500
Preview
Coordinates | 7039500.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H22 Cl4 Hg N4 O2 |
---|---|
Calculated formula | C32 H22 Cl4 Hg N4 O2 |
SMILES | c1cc[n](cc1C(=O)Nc1ccc(Cl)c2ccccc12)[Hg]([n]1cccc(c1)C(=O)Nc1ccc(c2ccccc12)Cl)(Cl)Cl |
Title of publication | Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions. |
Authors of publication | Khavasi, Hamid Reza; Kavand, Sima |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 26 |
Pages of publication | 10761 - 10770 |
a | 26.559 ± 0.005 Å |
b | 4.7805 ± 0.0009 Å |
c | 29.195 ± 0.006 Å |
α | 90° |
β | 125.788 ± 0.014° |
γ | 90° |
Cell volume | 3006.9 ± 1.1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0652 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7039500.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.